From 4dd94ce0e147043d27361e5b086e374c09f16ff2 Mon Sep 17 00:00:00 2001
From: Valerio Mariani <valerio.mariani@unibas.ch>
Date: Wed, 21 Dec 2011 11:04:12 +0100
Subject: [PATCH] Fixed bug with assignment of unknown atoms introduced by me
---
modules/conop/src/heuristic_builder.cc | 19 ++++++++++---------
1 file changed, 10 insertions(+), 9 deletions(-)
diff --git a/modules/conop/src/heuristic_builder.cc b/modules/conop/src/heuristic_builder.cc
index d0a82e660..458370078 100644
--- a/modules/conop/src/heuristic_builder.cc
+++ b/modules/conop/src/heuristic_builder.cc
@@ -227,19 +227,20 @@ void HeuristicBuilder::ConnectivityFromAtomNames(const mol::ResidueHandle& res,
editor.Connect(*it2,*it1);
} else {
if(this->IsBondFeasible(*it2, *it1)) {
- LOG_TRACE( "found (reversed)");
+ LOG_TRACE( "found (reversed)");
editor.Connect(*it2,*it1);
- } else {
- LOG_TRACE( "not found");
- }
- }
+ }
+ }
} else {
- unknown_atoms.push_back(*it1);
- }
+ LOG_TRACE( "not found");
+ }
}
- }
+ } else {
+ unknown_atoms.push_back(*it1);
+ LOG_TRACE( "atom not found, pushing it to unknown atoms");
+ }
}
-}
+}
void HeuristicBuilder::ConnectAtomsOfResidue(mol::ResidueHandle res)
{
--
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